N-cycloheptyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-cycloheptyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-cycloheptyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-cycloheptyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-cycloheptyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-cycloheptyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H27N4S+ MolecularWeight: 319.48808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCCC(CC1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H26N4S/c22-17(19-15-7-3-1-2-4-8-15)21-13-11-20(12-14-21)16-9-5-6-10-18-16/h5-6,9-10,15H,1-4,7-8,11-14H2,(H,19,22)/p+1